N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide

C20H22N2O4 — CID 9178530

IUPACN-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCOc1ccccc1OCCN1C(=O)[C@H](NC(C)=O)c2cccc(C)c21
InChIInChI=1S/C20H22N2O4/c1-13-7-6-8-15-18(21-14(2)23)20(24)22(19(13)15)11-12-26-17-10-5-4-9-16(17)25-3/h4-10,18H,11-12H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyKODPSEIRQQQOSV-GOSISDBHSA-N
MW354.41 g/mol
LogP2.61
Rot. Bonds6

About N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178530) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178530
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCOc1ccccc1OCCN1C(=O)[C@H](NC(C)=O)c2cccc(C)c21
InChIInChI=1S/C20H22N2O4/c1-13-7-6-8-15-18(21-14(2)23)20(24)22(19(13)15)11-12-26-17-10-5-4-9-16(17)25-3/h4-10,18H,11-12H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyKODPSEIRQQQOSV-GOSISDBHSA-N
XLogP2.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178644
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447367
N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178752
N-[(3R)-7-methyl-2-oxo-1-(3-phenoxypropyl)-3H-indol-3-yl]acetamide
CID 9178542
N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447200
N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178487
N-[(3R)-5,7-dimethyl-2-oxo-1-(2-phenoxyethyl)-3H-indol-3-yl]acetamide
CID 9178750
N-[(3S)-5,7-dimethyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178795
N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179192
N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178767
N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178639
N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447214

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178530) is N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide is COc1ccccc1OCCN1C(=O)[C@H](NC(C)=O)c2cccc(C)c21.
What is the InChIKey of N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is KODPSEIRQQQOSV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-7-6-8-15-18(21-14(2)23)20(24)22(19(13)15)11-12-26-17-10-5-4-9-16(17)25-3/h4-10,18H,11-12H2,1-3H3,(H,21,23)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).